USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 CYS SG : rot 46:sc= 0.845 USER MOD Set 1.2: A 71 TYR OH : rot 175:sc= 1.03 USER MOD Single : A 8 LYS NZ :NH3+ 165:sc= -0.0283 (180deg=-0.191) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.738 K(o=0.74,f=-0.13) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl -126:sc=-0.00575 (180deg=-0.0557) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl -169:sc=-0.000237 (180deg=-0.302) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.034 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -155:sc= -0.0305 (180deg=-0.327) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -170:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 7 -6.176 -5.303 -14.210 1.00 0.00 N ATOM 14 CA LEU A 7 -5.333 -5.205 -13.019 1.00 0.00 C ATOM 15 C LEU A 7 -3.839 -5.300 -13.355 1.00 0.00 C ATOM 16 O LEU A 7 -3.433 -6.011 -14.281 1.00 0.00 O ATOM 17 CB LEU A 7 -5.821 -6.215 -11.961 1.00 0.00 C ATOM 18 CG LEU A 7 -5.747 -7.705 -12.370 1.00 0.00 C ATOM 19 CD1 LEU A 7 -4.449 -8.374 -11.896 1.00 0.00 C ATOM 20 CD2 LEU A 7 -6.938 -8.461 -11.772 1.00 0.00 C ATOM 0 HA LEU A 7 -5.435 -4.213 -12.580 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.232 -6.077 -11.055 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.854 -5.978 -11.709 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.770 -7.744 -13.459 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.444 -9.419 -12.207 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.594 -7.860 -12.335 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.387 -8.319 -10.809 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.885 -9.511 -12.061 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.911 -8.382 -10.685 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.867 -8.029 -12.144 1.00 0.00 H new ATOM 31 N LYS A 8 -3.015 -4.586 -12.585 1.00 0.00 N ATOM 32 CA LYS A 8 -1.568 -4.459 -12.821 1.00 0.00 C ATOM 33 C LYS A 8 -0.760 -4.142 -11.546 1.00 0.00 C ATOM 34 O LYS A 8 -1.243 -3.407 -10.673 1.00 0.00 O ATOM 35 CB LYS A 8 -1.302 -3.427 -13.942 1.00 0.00 C ATOM 36 CG LYS A 8 -1.626 -1.990 -13.507 1.00 0.00 C ATOM 37 CD LYS A 8 -1.254 -0.940 -14.561 1.00 0.00 C ATOM 38 CE LYS A 8 -1.370 0.485 -13.994 1.00 0.00 C ATOM 39 NZ LYS A 8 -0.381 0.765 -12.923 1.00 0.00 N ATOM 0 H LYS A 8 -3.336 -4.070 -11.766 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.211 -5.436 -13.147 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.256 -3.485 -14.244 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.901 -3.682 -14.816 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.691 -1.915 -13.289 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.095 -1.769 -12.581 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.235 -1.114 -14.907 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.907 -1.044 -15.427 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.235 1.204 -14.802 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.376 0.633 -13.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.330 1.790 -12.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.673 0.287 -12.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.554 0.414 -13.214 1.00 0.00 H new ATOM 49 N THR A 9 0.462 -4.684 -11.451 1.00 0.00 N ATOM 50 CA THR A 9 1.389 -4.506 -10.316 1.00 0.00 C ATOM 51 C THR A 9 1.976 -3.094 -10.272 1.00 0.00 C ATOM 52 O THR A 9 1.994 -2.387 -11.279 1.00 0.00 O ATOM 53 CB THR A 9 2.474 -5.593 -10.338 1.00 0.00 C ATOM 54 OG1 THR A 9 3.164 -5.573 -9.109 1.00 0.00 O ATOM 55 CG2 THR A 9 3.503 -5.424 -11.456 1.00 0.00 C ATOM 0 H THR A 9 0.849 -5.278 -12.184 1.00 0.00 H new ATOM 0 HA THR A 9 0.823 -4.622 -9.392 1.00 0.00 H new ATOM 0 HB THR A 9 1.957 -6.536 -10.514 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.858 -6.265 -9.112 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.234 -6.231 -11.403 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.999 -5.454 -12.422 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.011 -4.466 -11.341 1.00 0.00 H new ATOM 63 N GLN A 10 2.480 -2.695 -9.107 1.00 0.00 N ATOM 64 CA GLN A 10 3.159 -1.432 -8.844 1.00 0.00 C ATOM 65 C GLN A 10 3.861 -1.531 -7.486 1.00 0.00 C ATOM 66 O GLN A 10 3.248 -2.002 -6.525 1.00 0.00 O ATOM 67 CB GLN A 10 2.138 -0.272 -8.842 1.00 0.00 C ATOM 68 CG GLN A 10 2.774 1.121 -8.687 1.00 0.00 C ATOM 69 CD GLN A 10 3.802 1.414 -9.778 1.00 0.00 C ATOM 70 OE1 GLN A 10 3.539 1.281 -10.968 1.00 0.00 O ATOM 71 NE2 GLN A 10 5.013 1.779 -9.430 1.00 0.00 N ATOM 0 H GLN A 10 2.421 -3.280 -8.273 1.00 0.00 H new ATOM 0 HA GLN A 10 3.895 -1.233 -9.623 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.570 -0.300 -9.772 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.428 -0.428 -8.030 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.992 1.880 -8.714 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.253 1.192 -7.711 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.247 1.894 -8.444 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.720 1.948 -10.145 1.00 0.00 H new ATOM 78 N GLN A 11 5.103 -1.050 -7.385 1.00 0.00 N ATOM 79 CA GLN A 11 5.782 -0.815 -6.108 1.00 0.00 C ATOM 80 C GLN A 11 5.972 0.685 -5.828 1.00 0.00 C ATOM 81 O GLN A 11 5.971 1.512 -6.746 1.00 0.00 O ATOM 82 CB GLN A 11 7.085 -1.633 -5.986 1.00 0.00 C ATOM 83 CG GLN A 11 8.230 -1.243 -6.932 1.00 0.00 C ATOM 84 CD GLN A 11 9.559 -1.867 -6.501 1.00 0.00 C ATOM 85 OE1 GLN A 11 10.335 -1.292 -5.739 1.00 0.00 O ATOM 86 NE2 GLN A 11 9.857 -3.077 -6.916 1.00 0.00 N ATOM 0 H GLN A 11 5.672 -0.810 -8.197 1.00 0.00 H new ATOM 0 HA GLN A 11 5.129 -1.184 -5.317 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.446 -1.549 -4.961 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.846 -2.683 -6.155 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.989 -1.564 -7.946 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.328 -0.158 -6.956 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.226 -3.569 -7.548 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.720 -3.524 -6.606 1.00 0.00 H new ATOM 93 N MET A 12 6.133 1.042 -4.550 1.00 0.00 N ATOM 94 CA MET A 12 6.130 2.420 -4.044 1.00 0.00 C ATOM 95 C MET A 12 7.006 2.590 -2.798 1.00 0.00 C ATOM 96 O MET A 12 7.318 1.620 -2.102 1.00 0.00 O ATOM 97 CB MET A 12 4.683 2.846 -3.730 1.00 0.00 C ATOM 98 CG MET A 12 4.072 2.069 -2.552 1.00 0.00 C ATOM 99 SD MET A 12 2.342 2.473 -2.199 1.00 0.00 S ATOM 100 CE MET A 12 1.548 1.600 -3.571 1.00 0.00 C ATOM 0 H MET A 12 6.274 0.354 -3.811 1.00 0.00 H new ATOM 0 HA MET A 12 6.553 3.057 -4.821 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.665 3.912 -3.504 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.066 2.697 -4.616 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.147 1.002 -2.760 1.00 0.00 H new ATOM 0 HG3 MET A 12 4.666 2.262 -1.659 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.911 2.292 -4.122 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.311 1.200 -4.238 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.943 0.782 -3.180 1.00 0.00 H new ATOM 108 N GLN A 13 7.330 3.842 -2.479 1.00 0.00 N ATOM 109 CA GLN A 13 7.911 4.222 -1.194 1.00 0.00 C ATOM 110 C GLN A 13 6.792 4.666 -0.234 1.00 0.00 C ATOM 111 O GLN A 13 5.742 5.134 -0.672 1.00 0.00 O ATOM 112 CB GLN A 13 8.983 5.309 -1.407 1.00 0.00 C ATOM 113 CG GLN A 13 10.217 4.736 -2.130 1.00 0.00 C ATOM 114 CD GLN A 13 11.359 5.743 -2.291 1.00 0.00 C ATOM 115 OE1 GLN A 13 11.733 6.151 -3.389 1.00 0.00 O ATOM 116 NE2 GLN A 13 11.984 6.156 -1.211 1.00 0.00 N ATOM 0 H GLN A 13 7.195 4.629 -3.113 1.00 0.00 H new ATOM 0 HA GLN A 13 8.410 3.369 -0.735 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.564 6.129 -1.991 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.282 5.724 -0.444 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.582 3.871 -1.576 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.917 4.380 -3.115 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.686 5.827 -0.292 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.767 6.805 -1.291 1.00 0.00 H new ATOM 123 N VAL A 14 6.999 4.491 1.072 1.00 0.00 N ATOM 124 CA VAL A 14 6.010 4.668 2.156 1.00 0.00 C ATOM 125 C VAL A 14 6.754 5.041 3.451 1.00 0.00 C ATOM 126 O VAL A 14 7.934 4.725 3.601 1.00 0.00 O ATOM 127 CB VAL A 14 5.137 3.384 2.335 1.00 0.00 C ATOM 128 CG1 VAL A 14 4.323 3.345 3.643 1.00 0.00 C ATOM 129 CG2 VAL A 14 4.117 3.221 1.202 1.00 0.00 C ATOM 0 H VAL A 14 7.910 4.206 1.430 1.00 0.00 H new ATOM 0 HA VAL A 14 5.324 5.475 1.899 1.00 0.00 H new ATOM 0 HB VAL A 14 5.875 2.582 2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.747 2.421 3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.001 3.389 4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.644 4.197 3.675 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.532 2.316 1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.452 4.085 1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.641 3.146 0.249 1.00 0.00 H new ATOM 139 N GLY A 15 6.067 5.699 4.398 1.00 0.00 N ATOM 140 CA GLY A 15 6.600 6.027 5.732 1.00 0.00 C ATOM 141 C GLY A 15 7.048 4.811 6.562 1.00 0.00 C ATOM 142 O GLY A 15 7.014 3.671 6.102 1.00 0.00 O ATOM 0 H GLY A 15 5.110 6.024 4.257 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.448 6.701 5.614 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.837 6.569 6.290 1.00 0.00 H new ATOM 146 N GLY A 16 7.510 5.069 7.790 1.00 0.00 N ATOM 147 CA GLY A 16 8.286 4.138 8.627 1.00 0.00 C ATOM 148 C GLY A 16 7.505 2.952 9.201 1.00 0.00 C ATOM 149 O GLY A 16 7.312 2.872 10.412 1.00 0.00 O ATOM 0 H GLY A 16 7.349 5.966 8.249 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.115 3.751 8.035 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.720 4.698 9.455 1.00 0.00 H new ATOM 153 N MET A 17 7.070 2.020 8.349 1.00 0.00 N ATOM 154 CA MET A 17 6.361 0.793 8.745 1.00 0.00 C ATOM 155 C MET A 17 7.208 -0.171 9.595 1.00 0.00 C ATOM 156 O MET A 17 6.623 -0.943 10.357 1.00 0.00 O ATOM 157 CB MET A 17 5.850 0.059 7.496 1.00 0.00 C ATOM 158 CG MET A 17 4.779 0.860 6.744 1.00 0.00 C ATOM 159 SD MET A 17 4.043 -0.009 5.333 1.00 0.00 S ATOM 160 CE MET A 17 5.478 -0.079 4.227 1.00 0.00 C ATOM 0 H MET A 17 7.202 2.096 7.341 1.00 0.00 H new ATOM 0 HA MET A 17 5.531 1.114 9.374 1.00 0.00 H new ATOM 0 HB2 MET A 17 6.687 -0.140 6.827 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.439 -0.907 7.788 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.987 1.128 7.443 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.221 1.791 6.390 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.159 -0.405 3.237 1.00 0.00 H new ATOM 0 HE2 MET A 17 5.930 0.910 4.155 1.00 0.00 H new ATOM 0 HE3 MET A 17 6.209 -0.784 4.623 1.00 0.00 H new ATOM 219 N CYS A 22 3.714 -2.556 11.676 1.00 0.00 N ATOM 220 CA CYS A 22 2.764 -1.910 10.757 1.00 0.00 C ATOM 221 C CYS A 22 2.701 -2.526 9.346 1.00 0.00 C ATOM 222 O CYS A 22 1.645 -2.469 8.712 1.00 0.00 O ATOM 223 CB CYS A 22 3.090 -0.413 10.719 1.00 0.00 C ATOM 224 SG CYS A 22 2.805 0.294 12.368 1.00 0.00 S ATOM 0 HA CYS A 22 1.760 -2.079 11.145 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.126 -0.261 10.418 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.466 0.090 9.980 1.00 0.00 H new ATOM 0 HG CYS A 22 3.337 -0.477 13.269 1.00 0.00 H new ATOM 229 N ALA A 23 3.772 -3.180 8.883 1.00 0.00 N ATOM 230 CA ALA A 23 3.767 -4.007 7.678 1.00 0.00 C ATOM 231 C ALA A 23 2.742 -5.154 7.748 1.00 0.00 C ATOM 232 O ALA A 23 2.208 -5.560 6.720 1.00 0.00 O ATOM 233 CB ALA A 23 5.192 -4.540 7.473 1.00 0.00 C ATOM 0 H ALA A 23 4.681 -3.147 9.345 1.00 0.00 H new ATOM 0 HA ALA A 23 3.460 -3.399 6.827 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.222 -5.163 6.579 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.880 -3.703 7.356 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.487 -5.133 8.339 1.00 0.00 H new ATOM 239 N SER A 24 2.419 -5.657 8.938 1.00 0.00 N ATOM 240 CA SER A 24 1.334 -6.624 9.143 1.00 0.00 C ATOM 241 C SER A 24 -0.032 -5.928 9.183 1.00 0.00 C ATOM 242 O SER A 24 -0.979 -6.424 8.586 1.00 0.00 O ATOM 243 CB SER A 24 1.568 -7.416 10.435 1.00 0.00 C ATOM 244 OG SER A 24 2.819 -8.080 10.370 1.00 0.00 O ATOM 0 H SER A 24 2.906 -5.404 9.798 1.00 0.00 H new ATOM 0 HA SER A 24 1.333 -7.314 8.299 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.546 -6.744 11.293 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.767 -8.142 10.578 1.00 0.00 H new ATOM 0 HG SER A 24 2.966 -8.583 11.198 1.00 0.00 H new ATOM 249 N SER A 25 -0.145 -4.759 9.823 1.00 0.00 N ATOM 250 CA SER A 25 -1.399 -3.995 9.921 1.00 0.00 C ATOM 251 C SER A 25 -1.936 -3.577 8.545 1.00 0.00 C ATOM 252 O SER A 25 -3.111 -3.802 8.257 1.00 0.00 O ATOM 253 CB SER A 25 -1.241 -2.771 10.845 1.00 0.00 C ATOM 254 OG SER A 25 -0.662 -3.134 12.092 1.00 0.00 O ATOM 0 H SER A 25 0.640 -4.309 10.294 1.00 0.00 H new ATOM 0 HA SER A 25 -2.137 -4.663 10.365 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.617 -2.023 10.357 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.215 -2.313 11.014 1.00 0.00 H new ATOM 0 HG SER A 25 -0.573 -2.337 12.656 1.00 0.00 H new ATOM 259 N ILE A 26 -1.092 -3.037 7.654 1.00 0.00 N ATOM 260 CA ILE A 26 -1.505 -2.763 6.264 1.00 0.00 C ATOM 261 C ILE A 26 -1.845 -4.073 5.532 1.00 0.00 C ATOM 262 O ILE A 26 -2.928 -4.190 4.960 1.00 0.00 O ATOM 263 CB ILE A 26 -0.439 -1.912 5.517 1.00 0.00 C ATOM 264 CG1 ILE A 26 -0.525 -0.398 5.844 1.00 0.00 C ATOM 265 CG2 ILE A 26 -0.543 -2.052 3.987 1.00 0.00 C ATOM 266 CD1 ILE A 26 0.223 0.018 7.110 1.00 0.00 C ATOM 0 H ILE A 26 -0.127 -2.782 7.865 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.415 -2.164 6.281 1.00 0.00 H new ATOM 0 HB ILE A 26 0.512 -2.309 5.873 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.128 0.167 5.000 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.574 -0.120 5.949 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.223 -1.438 3.513 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.398 -3.095 3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.528 -1.722 3.658 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.110 1.091 7.263 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.187 -0.516 7.967 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.280 -0.224 7.004 1.00 0.00 H new ATOM 277 N GLU A 27 -0.947 -5.062 5.541 1.00 0.00 N ATOM 278 CA GLU A 27 -1.067 -6.250 4.687 1.00 0.00 C ATOM 279 C GLU A 27 -2.237 -7.167 5.083 1.00 0.00 C ATOM 280 O GLU A 27 -2.808 -7.846 4.222 1.00 0.00 O ATOM 281 CB GLU A 27 0.259 -7.017 4.722 1.00 0.00 C ATOM 282 CG GLU A 27 0.473 -7.944 3.526 1.00 0.00 C ATOM 283 CD GLU A 27 1.804 -8.670 3.681 1.00 0.00 C ATOM 284 OE1 GLU A 27 1.870 -9.600 4.524 1.00 0.00 O ATOM 285 OE2 GLU A 27 2.792 -8.288 3.014 1.00 0.00 O ATOM 0 H GLU A 27 -0.119 -5.063 6.137 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.286 -5.912 3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.080 -6.301 4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.302 -7.607 5.638 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.342 -8.665 3.460 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.465 -7.369 2.600 1.00 0.00 H new ATOM 290 N ARG A 28 -2.625 -7.171 6.364 1.00 0.00 N ATOM 291 CA ARG A 28 -3.800 -7.897 6.863 1.00 0.00 C ATOM 292 C ARG A 28 -5.120 -7.268 6.384 1.00 0.00 C ATOM 293 O ARG A 28 -6.089 -8.000 6.156 1.00 0.00 O ATOM 294 CB ARG A 28 -3.698 -7.950 8.395 1.00 0.00 C ATOM 295 CG ARG A 28 -4.774 -8.812 9.073 1.00 0.00 C ATOM 296 CD ARG A 28 -4.476 -9.002 10.568 1.00 0.00 C ATOM 297 NE ARG A 28 -4.396 -7.713 11.276 1.00 0.00 N ATOM 298 CZ ARG A 28 -3.381 -7.199 11.961 1.00 0.00 C ATOM 299 NH1 ARG A 28 -2.241 -7.831 12.152 1.00 0.00 N ATOM 300 NH2 ARG A 28 -3.527 -5.997 12.470 1.00 0.00 N ATOM 0 H ARG A 28 -2.125 -6.663 7.094 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.810 -8.910 6.460 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.716 -8.335 8.669 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.763 -6.935 8.787 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.750 -8.342 8.951 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.826 -9.785 8.584 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.255 -9.617 11.019 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.536 -9.541 10.686 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.236 -7.136 11.234 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.104 -8.765 11.765 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.495 -7.387 12.687 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.400 -5.488 12.334 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.767 -5.573 13.002 1.00 0.00 H new ATOM 311 N ALA A 29 -5.154 -5.946 6.165 1.00 0.00 N ATOM 312 CA ALA A 29 -6.327 -5.212 5.678 1.00 0.00 C ATOM 313 C ALA A 29 -6.389 -5.037 4.156 1.00 0.00 C ATOM 314 O ALA A 29 -7.474 -4.847 3.615 1.00 0.00 O ATOM 315 CB ALA A 29 -6.350 -3.832 6.328 1.00 0.00 C ATOM 0 H ALA A 29 -4.346 -5.344 6.326 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.193 -5.815 5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.218 -3.277 5.973 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.407 -3.941 7.411 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.441 -3.291 6.065 1.00 0.00 H new ATOM 321 N LEU A 30 -5.263 -5.083 3.440 1.00 0.00 N ATOM 322 CA LEU A 30 -5.201 -4.751 2.008 1.00 0.00 C ATOM 323 C LEU A 30 -6.065 -5.684 1.128 1.00 0.00 C ATOM 324 O LEU A 30 -6.711 -5.237 0.180 1.00 0.00 O ATOM 325 CB LEU A 30 -3.704 -4.701 1.644 1.00 0.00 C ATOM 326 CG LEU A 30 -3.329 -4.126 0.265 1.00 0.00 C ATOM 327 CD1 LEU A 30 -4.065 -2.821 -0.067 1.00 0.00 C ATOM 328 CD2 LEU A 30 -1.818 -3.846 0.254 1.00 0.00 C ATOM 0 H LEU A 30 -4.362 -5.352 3.836 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.652 -3.780 1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.192 -4.112 2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.308 -5.715 1.705 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.619 -4.862 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.756 -2.469 -1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.140 -3.000 -0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.822 -2.066 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.531 -3.438 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.575 -3.128 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.275 -4.774 0.432 1.00 0.00 H new ATOM 339 N GLU A 31 -6.200 -6.953 1.516 1.00 0.00 N ATOM 340 CA GLU A 31 -7.127 -7.931 0.925 1.00 0.00 C ATOM 341 C GLU A 31 -8.591 -7.754 1.373 1.00 0.00 C ATOM 342 O GLU A 31 -9.483 -8.371 0.786 1.00 0.00 O ATOM 343 CB GLU A 31 -6.631 -9.358 1.211 1.00 0.00 C ATOM 344 CG GLU A 31 -6.423 -9.689 2.700 1.00 0.00 C ATOM 345 CD GLU A 31 -5.555 -10.934 2.853 1.00 0.00 C ATOM 346 OE1 GLU A 31 -4.363 -10.886 2.466 1.00 0.00 O ATOM 347 OE2 GLU A 31 -6.048 -11.972 3.352 1.00 0.00 O ATOM 0 H GLU A 31 -5.648 -7.347 2.278 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.130 -7.749 -0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.347 -10.066 0.794 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.688 -9.511 0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.952 -8.845 3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.388 -9.849 3.181 1.00 0.00 H new ATOM 352 N ARG A 32 -8.854 -6.908 2.375 1.00 0.00 N ATOM 353 CA ARG A 32 -10.193 -6.586 2.888 1.00 0.00 C ATOM 354 C ARG A 32 -10.808 -5.339 2.232 1.00 0.00 C ATOM 355 O ARG A 32 -12.018 -5.146 2.301 1.00 0.00 O ATOM 356 CB ARG A 32 -10.170 -6.380 4.413 1.00 0.00 C ATOM 357 CG ARG A 32 -9.421 -7.479 5.184 1.00 0.00 C ATOM 358 CD ARG A 32 -9.536 -7.261 6.699 1.00 0.00 C ATOM 359 NE ARG A 32 -10.899 -7.543 7.170 1.00 0.00 N ATOM 360 CZ ARG A 32 -11.402 -8.737 7.446 1.00 0.00 C ATOM 361 NH1 ARG A 32 -10.655 -9.823 7.460 1.00 0.00 N ATOM 362 NH2 ARG A 32 -12.687 -8.844 7.696 1.00 0.00 N ATOM 0 H ARG A 32 -8.114 -6.410 2.870 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.815 -7.444 2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.707 -5.418 4.632 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.196 -6.330 4.778 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.828 -8.455 4.921 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.371 -7.483 4.892 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.827 -7.907 7.218 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.268 -6.233 6.943 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.518 -6.742 7.297 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.658 -9.759 7.254 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.074 -10.727 7.677 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.281 -8.015 7.676 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.091 -9.756 7.910 1.00 0.00 H new ATOM 373 N LEU A 33 -10.004 -4.495 1.571 1.00 0.00 N ATOM 374 CA LEU A 33 -10.468 -3.305 0.825 1.00 0.00 C ATOM 375 C LEU A 33 -11.278 -3.619 -0.461 1.00 0.00 C ATOM 376 O LEU A 33 -11.749 -2.700 -1.132 1.00 0.00 O ATOM 377 CB LEU A 33 -9.260 -2.393 0.518 1.00 0.00 C ATOM 378 CG LEU A 33 -8.357 -2.024 1.717 1.00 0.00 C ATOM 379 CD1 LEU A 33 -7.256 -1.053 1.271 1.00 0.00 C ATOM 380 CD2 LEU A 33 -9.124 -1.400 2.892 1.00 0.00 C ATOM 0 H LEU A 33 -8.992 -4.618 1.536 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.178 -2.790 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.644 -2.884 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.633 -1.470 0.074 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.928 -2.962 2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.626 -0.800 2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.648 -1.523 0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.710 -0.145 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.428 -1.166 3.698 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.616 -0.486 2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.873 -2.105 3.253 1.00 0.00 H new ATOM 391 N LYS A 34 -11.418 -4.898 -0.835 1.00 0.00 N ATOM 392 CA LYS A 34 -12.281 -5.428 -1.915 1.00 0.00 C ATOM 393 C LYS A 34 -11.975 -4.924 -3.347 1.00 0.00 C ATOM 394 O LYS A 34 -12.747 -5.209 -4.266 1.00 0.00 O ATOM 395 CB LYS A 34 -13.770 -5.282 -1.521 1.00 0.00 C ATOM 396 CG LYS A 34 -14.138 -6.212 -0.353 1.00 0.00 C ATOM 397 CD LYS A 34 -15.609 -6.069 0.059 1.00 0.00 C ATOM 398 CE LYS A 34 -15.929 -6.852 1.342 1.00 0.00 C ATOM 399 NZ LYS A 34 -15.757 -8.318 1.198 1.00 0.00 N ATOM 0 H LYS A 34 -10.902 -5.642 -0.366 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.033 -6.486 -1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.974 -4.248 -1.242 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.399 -5.510 -2.381 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.941 -7.246 -0.637 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.500 -5.989 0.502 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.842 -5.015 0.211 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.248 -6.423 -0.750 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.285 -6.496 2.146 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.956 -6.642 1.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.989 -8.785 2.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -16.390 -8.670 0.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.771 -8.528 0.943 1.00 0.00 H new ATOM 409 N GLY A 35 -10.861 -4.208 -3.558 1.00 0.00 N ATOM 410 CA GLY A 35 -10.421 -3.682 -4.865 1.00 0.00 C ATOM 411 C GLY A 35 -9.018 -4.102 -5.317 1.00 0.00 C ATOM 412 O GLY A 35 -8.643 -3.810 -6.453 1.00 0.00 O ATOM 0 H GLY A 35 -10.219 -3.970 -2.802 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.137 -4.001 -5.623 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.459 -2.593 -4.828 1.00 0.00 H new ATOM 416 N VAL A 36 -8.242 -4.764 -4.455 1.00 0.00 N ATOM 417 CA VAL A 36 -6.824 -5.103 -4.666 1.00 0.00 C ATOM 418 C VAL A 36 -6.671 -6.614 -4.857 1.00 0.00 C ATOM 419 O VAL A 36 -7.043 -7.411 -3.995 1.00 0.00 O ATOM 420 CB VAL A 36 -5.957 -4.599 -3.487 1.00 0.00 C ATOM 421 CG1 VAL A 36 -4.499 -5.061 -3.589 1.00 0.00 C ATOM 422 CG2 VAL A 36 -6.007 -3.062 -3.408 1.00 0.00 C ATOM 0 H VAL A 36 -8.593 -5.093 -3.556 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.474 -4.604 -5.569 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.376 -5.033 -2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.936 -4.680 -2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.462 -6.150 -3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.061 -4.682 -4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.393 -2.720 -2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.626 -2.637 -4.337 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -7.037 -2.739 -3.256 1.00 0.00 H new ATOM 432 N ALA A 37 -6.095 -6.996 -5.997 1.00 0.00 N ATOM 433 CA ALA A 37 -6.006 -8.371 -6.485 1.00 0.00 C ATOM 434 C ALA A 37 -4.777 -9.144 -5.972 1.00 0.00 C ATOM 435 O ALA A 37 -4.768 -10.373 -6.026 1.00 0.00 O ATOM 436 CB ALA A 37 -6.014 -8.294 -8.015 1.00 0.00 C ATOM 0 H ALA A 37 -5.660 -6.327 -6.632 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.854 -8.938 -6.101 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.949 -9.300 -8.430 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.937 -7.822 -8.351 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.161 -7.706 -8.354 1.00 0.00 H new ATOM 442 N GLU A 38 -3.756 -8.452 -5.458 1.00 0.00 N ATOM 443 CA GLU A 38 -2.497 -9.031 -4.972 1.00 0.00 C ATOM 444 C GLU A 38 -1.672 -7.956 -4.254 1.00 0.00 C ATOM 445 O GLU A 38 -1.809 -6.781 -4.592 1.00 0.00 O ATOM 446 CB GLU A 38 -1.697 -9.635 -6.148 1.00 0.00 C ATOM 447 CG GLU A 38 -1.294 -11.088 -5.910 1.00 0.00 C ATOM 448 CD GLU A 38 -0.242 -11.212 -4.815 1.00 0.00 C ATOM 449 OE1 GLU A 38 -0.611 -11.288 -3.618 1.00 0.00 O ATOM 450 OE2 GLU A 38 0.962 -11.279 -5.158 1.00 0.00 O ATOM 0 H GLU A 38 -3.783 -7.437 -5.365 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.722 -9.829 -4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.295 -9.574 -7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.801 -9.038 -6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.174 -11.669 -5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.907 -11.514 -6.836 1.00 0.00 H new ATOM 455 N ALA A 39 -0.809 -8.338 -3.303 1.00 0.00 N ATOM 456 CA ALA A 39 0.031 -7.401 -2.546 1.00 0.00 C ATOM 457 C ALA A 39 1.138 -8.062 -1.705 1.00 0.00 C ATOM 458 O ALA A 39 1.034 -9.212 -1.265 1.00 0.00 O ATOM 459 CB ALA A 39 -0.848 -6.522 -1.642 1.00 0.00 C ATOM 0 H ALA A 39 -0.673 -9.313 -3.036 1.00 0.00 H new ATOM 0 HA ALA A 39 0.546 -6.800 -3.296 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.218 -5.830 -1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.551 -5.959 -2.255 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.399 -7.154 -0.945 1.00 0.00 H new ATOM 465 N SER A 40 2.182 -7.285 -1.420 1.00 0.00 N ATOM 466 CA SER A 40 3.313 -7.630 -0.552 1.00 0.00 C ATOM 467 C SER A 40 3.857 -6.358 0.124 1.00 0.00 C ATOM 468 O SER A 40 4.327 -5.462 -0.580 1.00 0.00 O ATOM 469 CB SER A 40 4.448 -8.248 -1.394 1.00 0.00 C ATOM 470 OG SER A 40 4.093 -9.476 -2.022 1.00 0.00 O ATOM 0 H SER A 40 2.269 -6.346 -1.809 1.00 0.00 H new ATOM 0 HA SER A 40 2.971 -8.341 0.200 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.751 -7.533 -2.159 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.314 -8.415 -0.753 1.00 0.00 H new ATOM 0 HG SER A 40 4.855 -9.811 -2.539 1.00 0.00 H new ATOM 475 N VAL A 41 3.848 -6.260 1.461 1.00 0.00 N ATOM 476 CA VAL A 41 4.632 -5.217 2.157 1.00 0.00 C ATOM 477 C VAL A 41 6.075 -5.714 2.277 1.00 0.00 C ATOM 478 O VAL A 41 6.312 -6.812 2.787 1.00 0.00 O ATOM 479 CB VAL A 41 4.062 -4.777 3.531 1.00 0.00 C ATOM 480 CG1 VAL A 41 4.867 -3.571 4.041 1.00 0.00 C ATOM 481 CG2 VAL A 41 2.585 -4.358 3.413 1.00 0.00 C ATOM 0 H VAL A 41 3.318 -6.876 2.077 1.00 0.00 H new ATOM 0 HA VAL A 41 4.577 -4.309 1.557 1.00 0.00 H new ATOM 0 HB VAL A 41 4.136 -5.620 4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.474 -3.254 5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.914 -3.852 4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.784 -2.751 3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.213 -4.055 4.392 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.498 -3.523 2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.996 -5.199 3.046 1.00 0.00 H new ATOM 491 N THR A 42 7.026 -4.920 1.775 1.00 0.00 N ATOM 492 CA THR A 42 8.441 -5.280 1.628 1.00 0.00 C ATOM 493 C THR A 42 9.175 -4.943 2.913 1.00 0.00 C ATOM 494 O THR A 42 9.540 -3.793 3.142 1.00 0.00 O ATOM 495 CB THR A 42 9.041 -4.549 0.423 1.00 0.00 C ATOM 496 OG1 THR A 42 8.238 -4.827 -0.701 1.00 0.00 O ATOM 497 CG2 THR A 42 10.461 -5.011 0.107 1.00 0.00 C ATOM 0 H THR A 42 6.825 -3.975 1.448 1.00 0.00 H new ATOM 0 HA THR A 42 8.542 -6.350 1.447 1.00 0.00 H new ATOM 0 HB THR A 42 9.075 -3.486 0.660 1.00 0.00 H new ATOM 0 HG1 THR A 42 8.603 -4.367 -1.486 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.839 -4.462 -0.755 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.104 -4.824 0.967 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.455 -6.078 -0.117 1.00 0.00 H new ATOM 505 N VAL A 43 9.359 -5.950 3.760 1.00 0.00 N ATOM 506 CA VAL A 43 9.786 -5.792 5.161 1.00 0.00 C ATOM 507 C VAL A 43 11.268 -5.406 5.299 1.00 0.00 C ATOM 508 O VAL A 43 11.607 -4.684 6.233 1.00 0.00 O ATOM 509 CB VAL A 43 9.440 -7.081 5.948 1.00 0.00 C ATOM 510 CG1 VAL A 43 10.090 -7.221 7.331 1.00 0.00 C ATOM 511 CG2 VAL A 43 7.914 -7.114 6.145 1.00 0.00 C ATOM 0 H VAL A 43 9.214 -6.924 3.493 1.00 0.00 H new ATOM 0 HA VAL A 43 9.237 -4.954 5.591 1.00 0.00 H new ATOM 0 HB VAL A 43 9.834 -7.904 5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.776 -8.160 7.787 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.175 -7.214 7.226 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.781 -6.389 7.964 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.638 -8.012 6.697 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.600 -6.233 6.705 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.422 -7.120 5.173 1.00 0.00 H new ATOM 521 N ALA A 44 12.145 -5.829 4.379 1.00 0.00 N ATOM 522 CA ALA A 44 13.582 -5.533 4.435 1.00 0.00 C ATOM 523 C ALA A 44 13.870 -4.018 4.397 1.00 0.00 C ATOM 524 O ALA A 44 14.364 -3.462 5.382 1.00 0.00 O ATOM 525 CB ALA A 44 14.275 -6.299 3.299 1.00 0.00 C ATOM 0 H ALA A 44 11.876 -6.389 3.570 1.00 0.00 H new ATOM 0 HA ALA A 44 13.987 -5.868 5.390 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.345 -6.094 3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.108 -7.369 3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 44 13.864 -5.979 2.341 1.00 0.00 H new ATOM 531 N THR A 45 13.512 -3.355 3.290 1.00 0.00 N ATOM 532 CA THR A 45 13.686 -1.911 3.040 1.00 0.00 C ATOM 533 C THR A 45 12.588 -1.053 3.668 1.00 0.00 C ATOM 534 O THR A 45 12.823 0.124 3.960 1.00 0.00 O ATOM 535 CB THR A 45 13.725 -1.666 1.523 1.00 0.00 C ATOM 536 OG1 THR A 45 12.631 -2.329 0.921 1.00 0.00 O ATOM 537 CG2 THR A 45 15.018 -2.202 0.905 1.00 0.00 C ATOM 0 H THR A 45 13.071 -3.831 2.503 1.00 0.00 H new ATOM 0 HA THR A 45 14.623 -1.613 3.510 1.00 0.00 H new ATOM 0 HB THR A 45 13.675 -0.591 1.350 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.648 -2.176 -0.047 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.014 -2.013 -0.168 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.873 -1.701 1.359 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.089 -3.275 1.084 1.00 0.00 H new ATOM 545 N GLY A 46 11.401 -1.628 3.886 1.00 0.00 N ATOM 546 CA GLY A 46 10.188 -0.932 4.323 1.00 0.00 C ATOM 547 C GLY A 46 9.582 -0.146 3.158 1.00 0.00 C ATOM 548 O GLY A 46 9.561 1.089 3.171 1.00 0.00 O ATOM 0 H GLY A 46 11.254 -2.629 3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.463 -1.652 4.702 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.424 -0.255 5.144 1.00 0.00 H new ATOM 552 N ARG A 47 9.110 -0.893 2.152 1.00 0.00 N ATOM 553 CA ARG A 47 8.429 -0.428 0.930 1.00 0.00 C ATOM 554 C ARG A 47 7.150 -1.252 0.704 1.00 0.00 C ATOM 555 O ARG A 47 6.788 -2.072 1.549 1.00 0.00 O ATOM 556 CB ARG A 47 9.383 -0.517 -0.282 1.00 0.00 C ATOM 557 CG ARG A 47 10.549 0.472 -0.165 1.00 0.00 C ATOM 558 CD ARG A 47 11.307 0.626 -1.486 1.00 0.00 C ATOM 559 NE ARG A 47 12.474 1.497 -1.297 1.00 0.00 N ATOM 560 CZ ARG A 47 12.994 2.357 -2.160 1.00 0.00 C ATOM 561 NH1 ARG A 47 12.559 2.533 -3.390 1.00 0.00 N ATOM 562 NH2 ARG A 47 13.993 3.097 -1.758 1.00 0.00 N ATOM 0 H ARG A 47 9.198 -1.909 2.168 1.00 0.00 H new ATOM 0 HA ARG A 47 8.144 0.617 1.048 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.774 -1.531 -0.363 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.827 -0.316 -1.198 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.169 1.444 0.150 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.236 0.132 0.610 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.627 -0.351 -1.847 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.648 1.047 -2.246 1.00 0.00 H new ATOM 0 HE ARG A 47 12.940 1.432 -0.392 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.770 1.987 -3.735 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.011 3.216 -3.998 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.348 3.002 -0.806 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.418 3.770 -2.396 1.00 0.00 H new ATOM 573 N LEU A 48 6.443 -1.058 -0.413 1.00 0.00 N ATOM 574 CA LEU A 48 5.163 -1.728 -0.679 1.00 0.00 C ATOM 575 C LEU A 48 5.015 -2.076 -2.163 1.00 0.00 C ATOM 576 O LEU A 48 5.399 -1.272 -3.011 1.00 0.00 O ATOM 577 CB LEU A 48 4.021 -0.799 -0.215 1.00 0.00 C ATOM 578 CG LEU A 48 2.941 -1.488 0.631 1.00 0.00 C ATOM 579 CD1 LEU A 48 1.933 -0.423 1.061 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.182 -2.598 -0.114 1.00 0.00 C ATOM 0 H LEU A 48 6.741 -0.431 -1.161 1.00 0.00 H new ATOM 0 HA LEU A 48 5.124 -2.668 -0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.449 0.020 0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.550 -0.358 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 48 3.444 -1.962 1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.152 -0.884 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.441 0.343 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.487 0.033 0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.436 -3.037 0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.687 -2.176 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.884 -3.369 -0.431 1.00 0.00 H new ATOM 591 N THR A 49 4.405 -3.227 -2.458 1.00 0.00 N ATOM 592 CA THR A 49 4.051 -3.700 -3.807 1.00 0.00 C ATOM 593 C THR A 49 2.594 -4.142 -3.803 1.00 0.00 C ATOM 594 O THR A 49 2.156 -4.808 -2.866 1.00 0.00 O ATOM 595 CB THR A 49 4.981 -4.837 -4.250 1.00 0.00 C ATOM 596 OG1 THR A 49 6.311 -4.377 -4.164 1.00 0.00 O ATOM 597 CG2 THR A 49 4.729 -5.244 -5.704 1.00 0.00 C ATOM 0 H THR A 49 4.130 -3.888 -1.732 1.00 0.00 H new ATOM 0 HA THR A 49 4.177 -2.890 -4.525 1.00 0.00 H new ATOM 0 HB THR A 49 4.796 -5.697 -3.606 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.923 -5.091 -4.442 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.408 -6.052 -5.979 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.699 -5.583 -5.814 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.901 -4.388 -6.356 1.00 0.00 H new ATOM 605 N VAL A 50 1.841 -3.755 -4.832 1.00 0.00 N ATOM 606 CA VAL A 50 0.376 -3.899 -4.891 1.00 0.00 C ATOM 607 C VAL A 50 -0.124 -4.053 -6.335 1.00 0.00 C ATOM 608 O VAL A 50 0.394 -3.394 -7.235 1.00 0.00 O ATOM 609 CB VAL A 50 -0.298 -2.703 -4.168 1.00 0.00 C ATOM 610 CG1 VAL A 50 -0.085 -1.350 -4.872 1.00 0.00 C ATOM 611 CG2 VAL A 50 -1.798 -2.939 -3.958 1.00 0.00 C ATOM 0 H VAL A 50 2.235 -3.323 -5.668 1.00 0.00 H new ATOM 0 HA VAL A 50 0.096 -4.816 -4.373 1.00 0.00 H new ATOM 0 HB VAL A 50 0.201 -2.646 -3.201 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.585 -0.563 -4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.982 -1.133 -4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.500 -1.394 -5.879 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.234 -2.079 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.284 -3.073 -4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.944 -3.833 -3.351 1.00 0.00 H new ATOM 621 N THR A 51 -1.132 -4.909 -6.552 1.00 0.00 N ATOM 622 CA THR A 51 -1.773 -5.167 -7.853 1.00 0.00 C ATOM 623 C THR A 51 -3.252 -4.799 -7.781 1.00 0.00 C ATOM 624 O THR A 51 -4.004 -5.407 -7.024 1.00 0.00 O ATOM 625 CB THR A 51 -1.612 -6.642 -8.251 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.239 -6.966 -8.299 1.00 0.00 O ATOM 627 CG2 THR A 51 -2.196 -6.955 -9.631 1.00 0.00 C ATOM 0 H THR A 51 -1.540 -5.463 -5.799 1.00 0.00 H new ATOM 0 HA THR A 51 -1.288 -4.553 -8.611 1.00 0.00 H new ATOM 0 HB THR A 51 -2.150 -7.224 -7.503 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.134 -7.907 -8.551 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.052 -8.012 -9.856 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.261 -6.725 -9.636 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.691 -6.351 -10.385 1.00 0.00 H new ATOM 635 N TYR A 52 -3.689 -3.843 -8.603 1.00 0.00 N ATOM 636 CA TYR A 52 -5.078 -3.344 -8.634 1.00 0.00 C ATOM 637 C TYR A 52 -5.508 -2.843 -10.024 1.00 0.00 C ATOM 638 O TYR A 52 -4.677 -2.719 -10.923 1.00 0.00 O ATOM 639 CB TYR A 52 -5.267 -2.253 -7.564 1.00 0.00 C ATOM 640 CG TYR A 52 -4.554 -0.933 -7.819 1.00 0.00 C ATOM 641 CD1 TYR A 52 -5.129 0.040 -8.664 1.00 0.00 C ATOM 642 CD2 TYR A 52 -3.336 -0.651 -7.171 1.00 0.00 C ATOM 643 CE1 TYR A 52 -4.508 1.288 -8.843 1.00 0.00 C ATOM 644 CE2 TYR A 52 -2.716 0.604 -7.327 1.00 0.00 C ATOM 645 CZ TYR A 52 -3.313 1.582 -8.154 1.00 0.00 C ATOM 646 OH TYR A 52 -2.754 2.812 -8.289 1.00 0.00 O ATOM 0 H TYR A 52 -3.082 -3.381 -9.280 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.731 -4.187 -8.407 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.334 -2.053 -7.463 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.925 -2.648 -6.607 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.054 -0.176 -9.178 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.873 -1.403 -6.549 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.945 2.020 -9.506 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.788 0.818 -6.817 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.936 2.860 -7.752 1.00 0.00 H new ATOM 655 N ASP A 53 -6.802 -2.543 -10.195 1.00 0.00 N ATOM 656 CA ASP A 53 -7.430 -2.087 -11.435 1.00 0.00 C ATOM 657 C ASP A 53 -7.715 -0.565 -11.374 1.00 0.00 C ATOM 658 O ASP A 53 -8.591 -0.160 -10.596 1.00 0.00 O ATOM 659 CB ASP A 53 -8.719 -2.899 -11.615 1.00 0.00 C ATOM 660 CG ASP A 53 -9.399 -2.608 -12.947 1.00 0.00 C ATOM 661 OD1 ASP A 53 -10.005 -1.522 -13.102 1.00 0.00 O ATOM 662 OD2 ASP A 53 -9.316 -3.481 -13.840 1.00 0.00 O ATOM 0 H ASP A 53 -7.472 -2.617 -9.429 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.770 -2.243 -12.289 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.489 -3.962 -11.551 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.407 -2.672 -10.800 1.00 0.00 H new ATOM 666 N PRO A 54 -7.007 0.279 -12.164 1.00 0.00 N ATOM 667 CA PRO A 54 -7.107 1.748 -12.136 1.00 0.00 C ATOM 668 C PRO A 54 -8.454 2.359 -12.562 1.00 0.00 C ATOM 669 O PRO A 54 -8.546 3.578 -12.722 1.00 0.00 O ATOM 670 CB PRO A 54 -5.989 2.265 -13.052 1.00 0.00 C ATOM 671 CG PRO A 54 -4.976 1.131 -13.061 1.00 0.00 C ATOM 672 CD PRO A 54 -5.869 -0.101 -12.995 1.00 0.00 C ATOM 0 HA PRO A 54 -7.015 2.056 -11.094 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.360 2.479 -14.055 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.553 3.188 -12.670 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.362 1.141 -13.962 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.296 1.186 -12.211 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.195 -0.402 -13.991 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.336 -0.948 -12.564 1.00 0.00 H new ATOM 677 N LYS A 55 -9.491 1.544 -12.771 1.00 0.00 N ATOM 678 CA LYS A 55 -10.848 2.025 -13.075 1.00 0.00 C ATOM 679 C LYS A 55 -11.824 1.603 -11.974 1.00 0.00 C ATOM 680 O LYS A 55 -12.566 2.443 -11.460 1.00 0.00 O ATOM 681 CB LYS A 55 -11.322 1.520 -14.447 1.00 0.00 C ATOM 682 CG LYS A 55 -10.493 2.003 -15.647 1.00 0.00 C ATOM 683 CD LYS A 55 -9.254 1.131 -15.938 1.00 0.00 C ATOM 684 CE LYS A 55 -9.170 0.682 -17.405 1.00 0.00 C ATOM 685 NZ LYS A 55 -10.351 -0.114 -17.816 1.00 0.00 N ATOM 0 H LYS A 55 -9.416 0.527 -12.735 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.820 3.114 -13.114 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.315 0.430 -14.437 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.357 1.831 -14.593 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.129 2.022 -16.532 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.170 3.028 -15.465 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.354 1.690 -15.682 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.276 0.251 -15.295 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.084 1.559 -18.047 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.266 0.090 -17.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.093 -0.733 -18.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.674 -0.694 -17.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.116 0.526 -18.111 1.00 0.00 H new ATOM 695 N GLN A 56 -11.766 0.336 -11.545 1.00 0.00 N ATOM 696 CA GLN A 56 -12.564 -0.143 -10.413 1.00 0.00 C ATOM 697 C GLN A 56 -12.178 0.553 -9.097 1.00 0.00 C ATOM 698 O GLN A 56 -13.067 0.790 -8.279 1.00 0.00 O ATOM 699 CB GLN A 56 -12.443 -1.667 -10.261 1.00 0.00 C ATOM 700 CG GLN A 56 -12.989 -2.442 -11.470 1.00 0.00 C ATOM 701 CD GLN A 56 -13.036 -3.943 -11.199 1.00 0.00 C ATOM 702 OE1 GLN A 56 -12.152 -4.699 -11.582 1.00 0.00 O ATOM 703 NE2 GLN A 56 -14.049 -4.439 -10.525 1.00 0.00 N ATOM 0 H GLN A 56 -11.172 -0.377 -11.968 1.00 0.00 H new ATOM 0 HA GLN A 56 -13.602 0.109 -10.629 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.395 -1.929 -10.113 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.979 -1.980 -9.365 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.990 -2.084 -11.711 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.362 -2.248 -12.341 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -14.794 -3.824 -10.198 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -14.090 -5.439 -10.329 1.00 0.00 H new ATOM 710 N VAL A 57 -10.901 0.921 -8.917 1.00 0.00 N ATOM 711 CA VAL A 57 -10.394 1.746 -7.798 1.00 0.00 C ATOM 712 C VAL A 57 -9.208 2.606 -8.274 1.00 0.00 C ATOM 713 O VAL A 57 -8.885 2.617 -9.461 1.00 0.00 O ATOM 714 CB VAL A 57 -9.978 0.904 -6.558 1.00 0.00 C ATOM 715 CG1 VAL A 57 -11.151 0.147 -5.916 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.844 -0.096 -6.863 1.00 0.00 C ATOM 0 H VAL A 57 -10.164 0.646 -9.566 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.217 2.386 -7.480 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.613 1.644 -5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.792 -0.420 -5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.909 0.859 -5.589 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.586 -0.536 -6.645 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.598 -0.654 -5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.169 -0.788 -7.640 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.963 0.447 -7.206 1.00 0.00 H new ATOM 726 N SER A 58 -8.514 3.295 -7.366 1.00 0.00 N ATOM 727 CA SER A 58 -7.249 3.978 -7.657 1.00 0.00 C ATOM 728 C SER A 58 -6.324 3.982 -6.426 1.00 0.00 C ATOM 729 O SER A 58 -6.640 3.372 -5.400 1.00 0.00 O ATOM 730 CB SER A 58 -7.536 5.405 -8.159 1.00 0.00 C ATOM 731 OG SER A 58 -7.913 6.278 -7.105 1.00 0.00 O ATOM 0 H SER A 58 -8.817 3.396 -6.397 1.00 0.00 H new ATOM 0 HA SER A 58 -6.724 3.435 -8.443 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.649 5.799 -8.655 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.331 5.373 -8.904 1.00 0.00 H new ATOM 0 HG SER A 58 -8.084 7.173 -7.467 1.00 0.00 H new ATOM 736 N GLU A 59 -5.216 4.729 -6.497 1.00 0.00 N ATOM 737 CA GLU A 59 -4.322 5.016 -5.364 1.00 0.00 C ATOM 738 C GLU A 59 -5.045 5.433 -4.067 1.00 0.00 C ATOM 739 O GLU A 59 -4.548 5.169 -2.973 1.00 0.00 O ATOM 740 CB GLU A 59 -3.326 6.111 -5.780 1.00 0.00 C ATOM 741 CG GLU A 59 -3.977 7.467 -6.105 1.00 0.00 C ATOM 742 CD GLU A 59 -2.915 8.456 -6.553 1.00 0.00 C ATOM 743 OE1 GLU A 59 -2.311 9.132 -5.694 1.00 0.00 O ATOM 744 OE2 GLU A 59 -2.597 8.512 -7.761 1.00 0.00 O ATOM 0 H GLU A 59 -4.906 5.163 -7.366 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.813 4.081 -5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.602 6.252 -4.977 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.771 5.769 -6.653 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.724 7.343 -6.889 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.496 7.851 -5.227 1.00 0.00 H new ATOM 749 N ILE A 60 -6.233 6.039 -4.175 1.00 0.00 N ATOM 750 CA ILE A 60 -7.107 6.415 -3.052 1.00 0.00 C ATOM 751 C ILE A 60 -7.320 5.256 -2.066 1.00 0.00 C ATOM 752 O ILE A 60 -7.181 5.466 -0.858 1.00 0.00 O ATOM 753 CB ILE A 60 -8.437 6.952 -3.636 1.00 0.00 C ATOM 754 CG1 ILE A 60 -8.302 8.395 -4.176 1.00 0.00 C ATOM 755 CG2 ILE A 60 -9.620 6.816 -2.665 1.00 0.00 C ATOM 756 CD1 ILE A 60 -8.090 9.486 -3.116 1.00 0.00 C ATOM 0 H ILE A 60 -6.629 6.292 -5.080 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.630 7.198 -2.463 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.664 6.310 -4.487 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.465 8.425 -4.874 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -9.200 8.636 -4.744 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.522 7.210 -3.133 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.769 5.765 -2.418 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -9.409 7.377 -1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.009 10.457 -3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.936 9.495 -2.429 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.175 9.281 -2.561 1.00 0.00 H new ATOM 767 N THR A 61 -7.608 4.046 -2.572 1.00 0.00 N ATOM 768 CA THR A 61 -7.906 2.855 -1.754 1.00 0.00 C ATOM 769 C THR A 61 -6.803 2.590 -0.734 1.00 0.00 C ATOM 770 O THR A 61 -7.095 2.398 0.446 1.00 0.00 O ATOM 771 CB THR A 61 -8.146 1.647 -2.671 1.00 0.00 C ATOM 772 OG1 THR A 61 -9.415 1.805 -3.248 1.00 0.00 O ATOM 773 CG2 THR A 61 -8.199 0.306 -1.941 1.00 0.00 C ATOM 0 H THR A 61 -7.641 3.863 -3.575 1.00 0.00 H new ATOM 0 HA THR A 61 -8.816 3.036 -1.182 1.00 0.00 H new ATOM 0 HB THR A 61 -7.315 1.624 -3.376 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.668 0.981 -3.714 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.372 -0.494 -2.661 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.253 0.134 -1.427 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.010 0.320 -1.213 1.00 0.00 H new ATOM 781 N ILE A 62 -5.544 2.610 -1.179 1.00 0.00 N ATOM 782 CA ILE A 62 -4.373 2.337 -0.329 1.00 0.00 C ATOM 783 C ILE A 62 -3.862 3.592 0.399 1.00 0.00 C ATOM 784 O ILE A 62 -3.370 3.468 1.522 1.00 0.00 O ATOM 785 CB ILE A 62 -3.308 1.570 -1.152 1.00 0.00 C ATOM 786 CG1 ILE A 62 -2.380 0.780 -0.206 1.00 0.00 C ATOM 787 CG2 ILE A 62 -2.542 2.474 -2.134 1.00 0.00 C ATOM 788 CD1 ILE A 62 -1.288 -0.029 -0.919 1.00 0.00 C ATOM 0 H ILE A 62 -5.302 2.818 -2.148 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.663 1.682 0.493 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.826 0.853 -1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.906 1.478 0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.986 0.100 0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.810 1.879 -2.681 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.243 2.924 -2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.029 3.260 -1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.682 -0.553 -0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.751 -0.754 -1.588 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.654 0.645 -1.496 1.00 0.00 H new ATOM 799 N GLN A 63 -4.060 4.791 -0.170 1.00 0.00 N ATOM 800 CA GLN A 63 -3.751 6.075 0.469 1.00 0.00 C ATOM 801 C GLN A 63 -4.428 6.194 1.836 1.00 0.00 C ATOM 802 O GLN A 63 -3.748 6.503 2.815 1.00 0.00 O ATOM 803 CB GLN A 63 -4.186 7.238 -0.445 1.00 0.00 C ATOM 804 CG GLN A 63 -3.796 8.609 0.132 1.00 0.00 C ATOM 805 CD GLN A 63 -3.979 9.731 -0.884 1.00 0.00 C ATOM 806 OE1 GLN A 63 -3.081 10.036 -1.664 1.00 0.00 O ATOM 807 NE2 GLN A 63 -5.124 10.379 -0.934 1.00 0.00 N ATOM 0 H GLN A 63 -4.448 4.895 -1.108 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.673 6.125 0.625 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.729 7.116 -1.427 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.266 7.200 -0.589 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.402 8.817 1.014 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.756 8.582 0.459 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.877 10.134 -0.291 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.258 11.126 -1.616 1.00 0.00 H new ATOM 814 N GLU A 64 -5.736 5.909 1.911 1.00 0.00 N ATOM 815 CA GLU A 64 -6.485 5.911 3.170 1.00 0.00 C ATOM 816 C GLU A 64 -5.886 4.967 4.207 1.00 0.00 C ATOM 817 O GLU A 64 -5.712 5.364 5.356 1.00 0.00 O ATOM 818 CB GLU A 64 -7.932 5.467 2.942 1.00 0.00 C ATOM 819 CG GLU A 64 -8.802 6.470 2.190 1.00 0.00 C ATOM 820 CD GLU A 64 -10.267 6.145 2.445 1.00 0.00 C ATOM 821 OE1 GLU A 64 -10.721 5.046 2.049 1.00 0.00 O ATOM 822 OE2 GLU A 64 -10.955 6.962 3.100 1.00 0.00 O ATOM 0 H GLU A 64 -6.303 5.671 1.097 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.439 6.935 3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.925 4.528 2.389 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.391 5.264 3.910 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.578 7.484 2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.587 6.428 1.122 1.00 0.00 H new ATOM 827 N ARG A 65 -5.580 3.725 3.815 1.00 0.00 N ATOM 828 CA ARG A 65 -5.112 2.685 4.730 1.00 0.00 C ATOM 829 C ARG A 65 -3.703 2.975 5.249 1.00 0.00 C ATOM 830 O ARG A 65 -3.437 2.764 6.430 1.00 0.00 O ATOM 831 CB ARG A 65 -5.221 1.329 4.011 1.00 0.00 C ATOM 832 CG ARG A 65 -4.847 0.103 4.863 1.00 0.00 C ATOM 833 CD ARG A 65 -5.513 0.019 6.244 1.00 0.00 C ATOM 834 NE ARG A 65 -6.980 0.189 6.180 1.00 0.00 N ATOM 835 CZ ARG A 65 -7.896 -0.374 6.961 1.00 0.00 C ATOM 836 NH1 ARG A 65 -7.602 -1.182 7.953 1.00 0.00 N ATOM 837 NH2 ARG A 65 -9.157 -0.108 6.721 1.00 0.00 N ATOM 0 H ARG A 65 -5.652 3.414 2.846 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.739 2.662 5.621 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.244 1.206 3.655 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.578 1.350 3.131 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -5.102 -0.796 4.303 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.766 0.097 5.001 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.282 -0.946 6.696 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.090 0.785 6.894 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.330 0.811 5.451 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.628 -1.406 8.157 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.348 -1.586 8.520 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.410 0.515 5.954 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.885 -0.524 7.302 1.00 0.00 H new ATOM 848 N ILE A 66 -2.808 3.503 4.411 1.00 0.00 N ATOM 849 CA ILE A 66 -1.467 3.921 4.853 1.00 0.00 C ATOM 850 C ILE A 66 -1.558 5.167 5.752 1.00 0.00 C ATOM 851 O ILE A 66 -0.899 5.207 6.793 1.00 0.00 O ATOM 852 CB ILE A 66 -0.539 4.102 3.631 1.00 0.00 C ATOM 853 CG1 ILE A 66 -0.348 2.761 2.877 1.00 0.00 C ATOM 854 CG2 ILE A 66 0.837 4.610 4.092 1.00 0.00 C ATOM 855 CD1 ILE A 66 0.134 2.947 1.435 1.00 0.00 C ATOM 0 H ILE A 66 -2.985 3.653 3.418 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.019 3.141 5.468 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.002 4.825 2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.371 2.146 3.418 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.292 2.216 2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.487 4.736 3.226 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.720 5.567 4.600 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.281 3.888 4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.248 1.972 0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.596 3.537 0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.093 3.465 1.436 1.00 0.00 H new ATOM 866 N ALA A 67 -2.429 6.129 5.420 1.00 0.00 N ATOM 867 CA ALA A 67 -2.686 7.299 6.260 1.00 0.00 C ATOM 868 C ALA A 67 -3.288 6.917 7.627 1.00 0.00 C ATOM 869 O ALA A 67 -2.980 7.544 8.641 1.00 0.00 O ATOM 870 CB ALA A 67 -3.641 8.248 5.522 1.00 0.00 C ATOM 0 H ALA A 67 -2.975 6.115 4.559 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.731 7.789 6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.837 9.122 6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.186 8.564 4.583 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.579 7.732 5.316 1.00 0.00 H new ATOM 876 N ALA A 68 -4.157 5.900 7.664 1.00 0.00 N ATOM 877 CA ALA A 68 -4.913 5.480 8.846 1.00 0.00 C ATOM 878 C ALA A 68 -4.050 4.799 9.925 1.00 0.00 C ATOM 879 O ALA A 68 -4.313 5.000 11.113 1.00 0.00 O ATOM 880 CB ALA A 68 -6.067 4.586 8.369 1.00 0.00 C ATOM 0 H ALA A 68 -4.359 5.329 6.843 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.303 6.366 9.347 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.651 4.256 9.228 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.707 5.150 7.690 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.663 3.717 7.849 1.00 0.00 H new ATOM 886 N LEU A 69 -2.990 4.068 9.546 1.00 0.00 N ATOM 887 CA LEU A 69 -1.933 3.620 10.484 1.00 0.00 C ATOM 888 C LEU A 69 -0.966 4.755 10.902 1.00 0.00 C ATOM 889 O LEU A 69 -0.127 4.552 11.790 1.00 0.00 O ATOM 890 CB LEU A 69 -1.176 2.398 9.921 1.00 0.00 C ATOM 891 CG LEU A 69 -1.885 1.029 10.051 1.00 0.00 C ATOM 892 CD1 LEU A 69 -2.502 0.776 11.437 1.00 0.00 C ATOM 893 CD2 LEU A 69 -2.940 0.805 8.964 1.00 0.00 C ATOM 0 H LEU A 69 -2.836 3.768 8.583 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.439 3.313 11.400 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.973 2.579 8.865 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.211 2.332 10.424 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.085 0.302 9.915 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.980 -0.203 11.449 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.719 0.807 12.195 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.244 1.545 11.651 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.405 -0.171 9.104 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.701 1.583 9.030 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.466 0.843 7.983 1.00 0.00 H new ATOM 904 N GLY A 70 -1.108 5.946 10.305 1.00 0.00 N ATOM 905 CA GLY A 70 -0.461 7.201 10.706 1.00 0.00 C ATOM 906 C GLY A 70 0.518 7.790 9.689 1.00 0.00 C ATOM 907 O GLY A 70 1.032 8.882 9.922 1.00 0.00 O ATOM 0 H GLY A 70 -1.707 6.065 9.488 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.236 7.940 10.909 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.072 7.032 11.642 1.00 0.00 H new ATOM 911 N TYR A 71 0.798 7.096 8.586 1.00 0.00 N ATOM 912 CA TYR A 71 1.877 7.434 7.648 1.00 0.00 C ATOM 913 C TYR A 71 1.402 8.298 6.458 1.00 0.00 C ATOM 914 O TYR A 71 0.349 8.940 6.517 1.00 0.00 O ATOM 915 CB TYR A 71 2.523 6.112 7.190 1.00 0.00 C ATOM 916 CG TYR A 71 3.042 5.244 8.315 1.00 0.00 C ATOM 917 CD1 TYR A 71 4.274 5.556 8.916 1.00 0.00 C ATOM 918 CD2 TYR A 71 2.302 4.127 8.754 1.00 0.00 C ATOM 919 CE1 TYR A 71 4.788 4.735 9.931 1.00 0.00 C ATOM 920 CE2 TYR A 71 2.808 3.308 9.781 1.00 0.00 C ATOM 921 CZ TYR A 71 4.065 3.600 10.357 1.00 0.00 C ATOM 922 OH TYR A 71 4.591 2.778 11.304 1.00 0.00 O ATOM 0 H TYR A 71 0.273 6.266 8.311 1.00 0.00 H new ATOM 0 HA TYR A 71 2.613 8.059 8.155 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.790 5.543 6.618 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.347 6.340 6.514 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.825 6.428 8.596 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.348 3.900 8.303 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.738 4.972 10.387 1.00 0.00 H new ATOM 0 HE2 TYR A 71 2.237 2.459 10.128 1.00 0.00 H new ATOM 0 HH TYR A 71 3.934 2.091 11.542 1.00 0.00 H new ATOM 931 N THR A 72 2.184 8.291 5.369 1.00 0.00 N ATOM 932 CA THR A 72 1.862 8.780 4.020 1.00 0.00 C ATOM 933 C THR A 72 2.649 7.953 2.991 1.00 0.00 C ATOM 934 O THR A 72 3.678 7.363 3.344 1.00 0.00 O ATOM 935 CB THR A 72 2.213 10.268 3.838 1.00 0.00 C ATOM 936 OG1 THR A 72 3.570 10.479 4.168 1.00 0.00 O ATOM 937 CG2 THR A 72 1.369 11.228 4.675 1.00 0.00 C ATOM 0 H THR A 72 3.131 7.914 5.411 1.00 0.00 H new ATOM 0 HA THR A 72 0.787 8.673 3.875 1.00 0.00 H new ATOM 0 HB THR A 72 2.003 10.488 2.791 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.792 11.426 4.050 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.686 12.253 4.483 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.318 11.117 4.407 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.500 11.000 5.733 1.00 0.00 H new ATOM 945 N LEU A 73 2.206 7.930 1.727 1.00 0.00 N ATOM 946 CA LEU A 73 2.829 7.168 0.623 1.00 0.00 C ATOM 947 C LEU A 73 3.487 8.035 -0.472 1.00 0.00 C ATOM 948 O LEU A 73 3.249 9.244 -0.569 1.00 0.00 O ATOM 949 CB LEU A 73 1.793 6.178 0.034 1.00 0.00 C ATOM 950 CG LEU A 73 0.801 6.723 -1.016 1.00 0.00 C ATOM 951 CD1 LEU A 73 -0.120 5.598 -1.508 1.00 0.00 C ATOM 952 CD2 LEU A 73 -0.068 7.868 -0.486 1.00 0.00 C ATOM 0 H LEU A 73 1.382 8.453 1.430 1.00 0.00 H new ATOM 0 HA LEU A 73 3.664 6.617 1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.339 5.350 -0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.214 5.766 0.861 1.00 0.00 H new ATOM 0 HG LEU A 73 1.408 7.115 -1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.815 5.994 -2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.480 4.808 -1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.680 5.191 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.743 8.206 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.650 7.518 0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.570 8.695 -0.175 1.00 0.00 H new ATOM 963 N ALA A 74 4.267 7.388 -1.344 1.00 0.00 N ATOM 964 CA ALA A 74 4.909 7.947 -2.539 1.00 0.00 C ATOM 965 C ALA A 74 4.980 6.896 -3.672 1.00 0.00 C ATOM 966 O ALA A 74 5.969 6.171 -3.835 1.00 0.00 O ATOM 967 CB ALA A 74 6.287 8.493 -2.141 1.00 0.00 C ATOM 0 H ALA A 74 4.481 6.397 -1.227 1.00 0.00 H new ATOM 0 HA ALA A 74 4.317 8.771 -2.938 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.779 8.913 -3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.166 9.270 -1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.896 7.685 -1.736 1.00 0.00 H new ATOM 973 N GLU A 75 3.908 6.824 -4.467 1.00 0.00 N ATOM 974 CA GLU A 75 3.812 6.023 -5.692 1.00 0.00 C ATOM 975 C GLU A 75 4.121 6.947 -6.888 1.00 0.00 C ATOM 976 O GLU A 75 3.395 7.928 -7.093 1.00 0.00 O ATOM 977 CB GLU A 75 2.416 5.374 -5.757 1.00 0.00 C ATOM 978 CG GLU A 75 2.091 4.618 -7.060 1.00 0.00 C ATOM 979 CD GLU A 75 1.119 5.391 -7.964 1.00 0.00 C ATOM 980 OE1 GLU A 75 0.037 5.804 -7.485 1.00 0.00 O ATOM 981 OE2 GLU A 75 1.414 5.613 -9.164 1.00 0.00 O ATOM 0 H GLU A 75 3.051 7.341 -4.268 1.00 0.00 H new ATOM 0 HA GLU A 75 4.534 5.207 -5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.319 4.680 -4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.667 6.152 -5.614 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.015 4.427 -7.605 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.660 3.647 -6.815 1.00 0.00 H new ATOM 986 N PRO A 76 5.208 6.701 -7.645 1.00 0.00 N ATOM 987 CA PRO A 76 5.929 7.757 -8.360 1.00 0.00 C ATOM 988 C PRO A 76 5.169 8.381 -9.534 1.00 0.00 C ATOM 989 O PRO A 76 5.055 9.631 -9.542 1.00 0.00 O ATOM 990 CB PRO A 76 7.274 7.144 -8.780 1.00 0.00 C ATOM 991 CG PRO A 76 7.013 5.639 -8.779 1.00 0.00 C ATOM 992 CD PRO A 76 6.004 5.479 -7.645 1.00 0.00 C ATOM 0 HA PRO A 76 6.065 8.612 -7.698 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.582 7.495 -9.765 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.069 7.411 -8.084 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.610 5.297 -9.732 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.924 5.069 -8.595 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.375 4.603 -7.802 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.509 5.341 -6.689 1.00 0.00 H new